Geometry & MOs

Info

ID:	297826
PubChem CID:	117633157
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	7.49
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-4-[4-(methylamino)piperidin-1-yl]butan-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN/C=C(/C=NCC2=CC=C(C=C2)OC)\[N+](=O)[O-]

DOS

IR

Vibrations